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CHEBI:64412 - 10-deoxygerfelin

ChEBI IDCHEBI:64412
ChEBI Name10-deoxygerfelin
Stars
DefinitionA member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 3-hydroxy-5-methylphenoxy group.
Last Modified20 February 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H14O5
Net Charge0
Average Mass274.272
Monoisotopic Mass274.08412
SMILESCc1cc(O)cc(Oc2cc(C)c(C(=O)O)c(O)c2)c1
InChIInChI=1S/C15H14O5/c1-8-3-10(16)6-11(4-8)20-12-5-9(2)14(15(18)19)13(17)7-12/h3-7,16-17H,1-2H3,(H,18,19)
InChIKeyZJEIMBOWRAUNAN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
10-deoxygerfelin (CHEBI:64412) has role metabolite (CHEBI:25212)
10-deoxygerfelin (CHEBI:64412) is a aromatic ether (CHEBI:35618)
10-deoxygerfelin (CHEBI:64412) is a benzoic acids (CHEBI:22723)
10-deoxygerfelin (CHEBI:64412) is a phenols (CHEBI:33853)
IUPAC Name 
2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid
Synonyms  Source
C-10-deoxy gerfelinChEBI
C-10-deoxygerfelinChEBI
C10-deoxy gerfelinChEBI
C10-deoxygerfelinChEBI
C10-deoxy derivative of gerfelinChEBI
C-10-deoxy derivative of gerfelinChEBI
Registry NumbersSources
Reaxys:2663280Reaxys
Citations